UCSF

ZINC36989986

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.24 6.13 -9.55 1 4 0 43 278.311 3
Lo Low (pH 4.5-6) 3.24 6.56 -35.6 2 4 1 45 279.319 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )